• Formula : NaS
  • Space Group : P-62m (189)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.629
    b = 7.629
    c = 5.394
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 90
  • Band gap = 0.8537 eV
    Direct Gap = 1.655 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 43405

Band structure with spin-orbit coupling